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. 2019 Jul 18;10:3177. doi: 10.1038/s41467-019-10758-0

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 4 — Computed energies characterizing electronic coupling between retinal and Trp86. Solid arrows indicate retinal and Trp86 absorption; dashed arrows indicate absorption and emission of excited Trp86 populated by a sequential two-photon process. All computed energies and transition dipole moments (tdm) are presented in Supplementary Tables 2 and 3, respectively. a Transitions of the retinal and Trp86 corresponding to the light-adapted state of bacteriorhodopsin. b Transitions from the relaxed retinal S₁ state. Absorption of a second photon may populate the retinal S₃ state at 2.03 eV (tdm = 5.37 au) coupled to the excited Trp86 (W)S₁ state at 2.0 eV (tdm = 0.15 au). c Transitions from the relaxed CT state. Photon absorption populates the excited Trp86 radical state (W)D₂ at 2.29 eV (tdm = 1.00 au) coupled to the excited Trp86 (W)S₁ state at 2.35 eV (tdm = 0.45 au)